methyl 4-(4-chlorophenyl)-5-cyano-6-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-2-oxidanylidene-3,4-dihydro-1H-pyridine-3-carboxylate

Systemtic Name: methyl 4-(4-chlorophenyl)-5-cyano-6-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-2-oxidanylidene-3,4-dihydro-1H-pyridine-3-carboxylate Openeye Name: methyl 4-(4-chlorophenyl)-5-cyano-6-[2-(cyclohexylamino)-2-oxo-ethyl]sulfanyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate CAS Name: 4-(4-chlorophenyl)-5-cyano-6-[[2-(cyclohexylamino)-2-oxoethyl]thio]-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-chlorophenyl)-5-cyano-6-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-5-cyano-6-[[2-(cyclohexylamino)-2-keto-ethyl]thio]-2-keto-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester Formula: C22H24ClN3O4S MolecularWeight: 461.96166

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C(=C(NC1=O)SCC(=O)NC2CCCCC2)C#N)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1C(C(=C(NC1=O)SCC(=O)NC2CCCCC2)C#N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H24ClN3O4S/c1-30-22(29)19-18(13-7-9-14(23)10-8-13)16(11-24)21(26-20(19)28)31-12-17(27)25-15-5-3-2-4-6-15/h7-10,15,18-19H,2-6,12H2,1H3,(H,25,27)(H,26,28)